compound 6 [PMID: 7629799]

Ligand id: 3063

Name: compound 6 [PMID: 7629799]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 146
Molecular weight 366.04
XLogP 4.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Magnin DR, Biller SA, Chen Y, Dickson JK, Fryszman OM, Lawrence RM, Logan JV, Sieber-McMaster ES, Sulsky RB, Traeger SC et al.. (1996)
alpha-Phosphonosulfonic acids: potent and selective inhibitors of squalene synthase.
J. Med. Chem., 39 (3): 657-60. [PMID:8576905]
2. Magnin DR, Biller SA, Dickson JK, Logan JV, Lawrence RM, Chen Y, Sulsky RB, Ciosek CP, Harrity TW, Jolibois KG. (1995)
1,1-Bisphosphonate squalene synthase inhibitors: interplay between the isoprenoid subunit and the diphosphate surrogate.
J. Med. Chem., 38 (14): 2596-605. [PMID:7629799]
3. Song Y, Lin FY, Yin F, Hensler M, RodrĂ­gues Poveda CA, Mukkamala D, Cao R, Wang H, Morita CT, González Pacanowska D et al.. (2009)
Phosphonosulfonates are potent, selective inhibitors of dehydrosqualene synthase and staphyloxanthin biosynthesis in Staphylococcus aureus.
J. Med. Chem., 52 (4): 976-88. [PMID:19191557]